ethyl 2-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)ethanoate

Systemtic Name: ethyl 2-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)ethanoate Openeye Name: ethyl 2-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetate CAS Name: 2-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetate Traditional Name: 2-(5-methyl-4-phenacyl-1-phenyl-1,2,4-triazol-4-ium-3-yl)acetic acid ethyl ester Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=[N+]1CC(=O)C2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=[N+]1CC(=O)C2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N3O3/c1-3-27-21(26)14-20-22-24(18-12-8-5-9-13-18)16(2)23(20)15-19(25)17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3/q+1